7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

C16H18N2O2 — CID 155523978

IUPAC7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(CCc1ccccc1)C2
InChIInChI=1S/C16H18N2O2/c19-15-10-14-11-17(8-9-18(14)12-16(15)20)7-6-13-4-2-1-3-5-13/h1-5,10,12,20H,6-9,11H2
InChIKeyATKKMMXYHRHDOJ-UHFFFAOYSA-N
MW270.33 g/mol
LogP1.61
Rot. Bonds3

About 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one

7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (PubChem CID 155523978) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.

Molecular Properties

Compound Name7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
PubChem CID155523978
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one
SMILESO=c1cc2n(cc1O)CCN(CCc1ccccc1)C2
InChIInChI=1S/C16H18N2O2/c19-15-10-14-11-17(8-9-18(14)12-16(15)20)7-6-13-4-2-1-3-5-13/h1-5,10,12,20H,6-9,11H2
InChIKeyATKKMMXYHRHDOJ-UHFFFAOYSA-N
XLogP1.61
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The IUPAC name of 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one (CID 155523978) is 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one.
What is the SMILES notation for 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The canonical SMILES for 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is O=c1cc2n(cc1O)CCN(CCc1ccccc1)C2.
What is the InChIKey of 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
The InChIKey is ATKKMMXYHRHDOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c19-15-10-14-11-17(8-9-18(14)12-16(15)20)7-6-13-4-2-1-3-5-13/h1-5,10,12,20H,6-9,11H2.
What are the key properties of 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one?
7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one has a molecular weight of 270.33 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-2-(2-phenylethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-8-one is sourced from PubChem (CID 155523978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).